tert-butyl 3-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C16H26N6O4/c1-16(2,3)26-12(23)5-6-17-14-13(22(24)25)15(19-11-18-14)21-9-7-20(4)8-10-21/h11H,5-10H2,1-4H3,(H,17,18,19)